chempirical

δ-Dodecalactone

C12H22O2CAS 713-95-1198.31 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
Density
0.9536 g/mL (at 20 °C)
Boiling point
126 °C (at 1 Torr)
logP
3.44Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
713-95-1
SMILES
CCCCCCCC1CCCC(=O)O1
InChIKey
QRPLZGZHJABGRS-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • 2H-Pyran-2-one, 6-heptyltetrahydro-
  • Dodecanoic acid, 5-hydroxy-, δ-lactone
  • 6-Heptyltetrahydro-2H-pyran-2-one
  • 5-Hydroxydodecanoic acid δ-lactone
  • 5-Hydroxydodecanoic acid lactone
  • δ-Heptyl-δ-valerolactone
  • 5-Dodecanolide
  • AI 3-36030
  • δ-Dodecanolactone
  • (±)-δ-Dodecalactone
  • (R,S)-δ-Dodecalactone
  • δ-Dodecane lactone

Work with δ-Dodecalactone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

δ-Tetradecalactone2721-22-4100 % similar δ-Undecalactone710-04-3100 % similar δ-Decalactone705-86-296 % similar γ-Undecalactone104-67-686 % similar Gamma-decalactone706-14-986 % similar Delta-nonalactone3301-94-886 % similar Gamma-nonalactone104-61-083 % similar Cyclohexyl butyrate1551-44-679 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 γ-Dodecalactone2305-05-7

Elsewhere

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